1-(1-benzofuran-2-yl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(1-benzofuran-2-yl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(benzofuran-2-yl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2-benzofuranyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1-benzofuran-2-yl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(benzofuran-2-yl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C21H17N3O2S/c25-17(19-12-15-6-4-5-9-18(15)26-19)13-27-21-23-22-20(14-10-11-14)24(21)16-7-2-1-3-8-16/h1-9,12,14H,10-11,13H2